N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide

C19H24N2O3S2 — CID 140986683

IUPACN-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCCc1ccccc1)[C@H]1CCN(Cc2ccsc2)C1=O
InChIInChI=1S/C19H24N2O3S2/c1-26(23,24)21(11-5-8-16-6-3-2-4-7-16)18-9-12-20(19(18)22)14-17-10-13-25-15-17/h2-4,6-7,10,13,15,18H,5,8-9,11-12,14H2,1H3/t18-/m0/s1
InChIKeyGBXCUTYCKGTMBU-SFHVURJKSA-N
MW392.55 g/mol
LogP2.74
Rot. Bonds8

About N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide

N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide (PubChem CID 140986683) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide
PubChem CID140986683
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCCc1ccccc1)[C@H]1CCN(Cc2ccsc2)C1=O
InChIInChI=1S/C19H24N2O3S2/c1-26(23,24)21(11-5-8-16-6-3-2-4-7-16)18-9-12-20(19(18)22)14-17-10-13-25-15-17/h2-4,6-7,10,13,15,18H,5,8-9,11-12,14H2,1H3/t18-/m0/s1
InChIKeyGBXCUTYCKGTMBU-SFHVURJKSA-N
XLogP2.74
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide?
The IUPAC name of N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide (CID 140986683) is N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide.
What is the SMILES notation for N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide?
The canonical SMILES for N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide is CS(=O)(=O)N(CCCc1ccccc1)[C@H]1CCN(Cc2ccsc2)C1=O.
What is the InChIKey of N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide?
The InChIKey is GBXCUTYCKGTMBU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-26(23,24)21(11-5-8-16-6-3-2-4-7-16)18-9-12-20(19(18)22)14-17-10-13-25-15-17/h2-4,6-7,10,13,15,18H,5,8-9,11-12,14H2,1H3/t18-/m0/s1.
What are the key properties of N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide?
N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide has a molecular weight of 392.55 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide is sourced from PubChem (CID 140986683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).